SCHEMBL7250728

SCHEMBL7250728

CCCC(C)(O)CC(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 4/20 0.41
TRPA1 O75762 1/20 0.41
LMNA P02545 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HSD11B1 P28845 1/20 0.36
CYP1A2 P05177 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
ALOX15 P16050 1/20 0.34
HMGCR P04035 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
ADRA1A P35348 1/20 0.34
SOAT1 P35610 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10618879 0.88 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10618891 0.88 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10618886 0.88 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL959455 0.86 MEN1 (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11209470 0.85 MEN1 (0.45) GAACYP4F2CYP4A11
SCHEMBL28791001 0.83 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10HMGCRCHRM1
SCHEMBL4996013 0.83 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL14727725 0.81 LMNA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9946195 0.81 HSD17B10 (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL32663592 0.80 ALOX15 (0.38) GAAMGAMSIMGAM2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605716-B2 By Reformatsky rearrangement of aldehydes, ketones, or imines in presence of zinc CONSORTIUM FUER ELEKTROCHEMISCHE INDUSTRIES, GMBH (DE) 2003-08-12 US disclosed
US-20020013501-A1 Process for the preparation of hydroxy and amino compounds CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2002-01-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020013501-A1 Process for the preparation of hydroxy and amino compounds BCKDK, KHK, HRH1 GAA 1787/4885MGAM 717/4885SI 87/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.